SCHEMBL7030564

SCHEMBL7030564

CCCOC(=O)CSCC(C(=O)OC)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7035278 0.91 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7029761 0.88 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7032515 0.86 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7034586 0.81 SMN1; SMN2 (0.33) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7029974 0.78 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7035531 0.78 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7034368 0.77 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7031460 0.77 CA1 (0.46) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14353216 0.73 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL7033401 0.71 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
US-6441195-B1 2-ALKOXYCARBONYL-3-SULPHONAMIDE, SULPHONYL ISOCYANATE OR SULPHONYL ISOTHIOCYANATE-THIOPHENES; PRE- OR POSTEMERGENCE HERBICIDES; EFFICIENCY BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
US-6180567-B1 REACTING 2-ALKOXYCARBONYL-BENZENESULFONAMIDE DERIVATIVE WITH 1,2,4-(1H)TRIAZOLE-5-(THI)ONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 CYP1A2 227/4885CYP2C9 158/4885CYP2C19 851/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.